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89481-38-9 | 1,7-Phenanthroline-4,10-diol,2,8-dimethyl-
CAS No: 89481-38-9 Catalog No: AG0042E3 MDL No:
Product Description
Catalog Number:
AG0042E3
Chemical Name:
1,7-Phenanthroline-4,10-diol,2,8-dimethyl-
CAS Number:
89481-38-9
Molecular Formula:
C14H12N2O2
Molecular Weight:
240.2573
IUPAC Name:
2,8-dimethyl-1,7-dihydro-1,7-phenanthroline-4,10-dione
InChI:
InChI=1S/C14H12N2O2/c1-7-6-12(18)13-10(15-7)4-3-9-11(17)5-8(2)16-14(9)13/h3-6H,1-2H3,(H,15,18)(H,16,17)
InChI Key:
FEGCUBWCNYCUCH-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(n1)ccc1c2nc(C)cc1O
UNII:
ER9WX3S7IR
NSC Number:
378651
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.262g/mol
Monoisotopic Mass:
240.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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